Numerical correction of spectrometric data using a rational filter

Raw spectrometric data are subject to systematic errors of an instrumental type that may be reduced provided a mathematical model of the spectrometer used, or its pseudoinverse, i.e., an operator of reconstruction, is identif ied. The idea to identify this operator directly during calibration of the spectrometer is developed in this paper. The applicability of an operator o f reconstruction having the form of a rational filter is studied when it is used for correction of the instrumental errors introduced by an absorption spectrometer. An algorithm for identification of this operator is proposed and studied using spectrometric-type synthetic data and real-world spectro metric data. The proposed operator is compared with some existing algorithm s of spectrometric data correction, using accuracy-related criteria, both n on-specific and specific to spectrometry. (C) 1998 John Wiley & Sons, Ltd.